MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009644
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009644
RECORD_TITLE: ETHYL 4-ACETYL-3,5-DIMETHYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 4-ACETYL-3,5-DIMETHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H16O3
CH$EXACT_MASS: 220.10994
CH$SMILES: CCOC(=O)c(c1)cc(C)c(C(C)=O)c(C)1
CH$IUPAC: InChI=1S/C13H16O3/c1-5-16-13(15)11-6-8(2)12(10(4)14)9(3)7-11/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY
CJMJIWJARUFVLF-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-2390000000-3cc81520dacbcadbf73c
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
27 2.6 26
29 2.9 29
39 2 20
40 0.1 1
43 16.1 161
51 3 30
52 1.5 15
53 0.12 1
63 1.8 18
65 1.7 17
77 6.7 67
78 0.29 3
79 1.7 17
80 2.8 28
91 3.3 33
103 0.58 6
104 3.4 34
105 2.7 27
119 1.7 17
121 0.2 2
131 2.4 24
132 3.4 34
133 2.7 27
147 0.16 2
149 10 100
150 1.3 13
175 16.2 162
176 0.25 3
177 13.1 131
178 1.7 17
204 2.5 25
205 99.99 999
206 13.7 137
207 1.7 17
220 32.1 321
221 4.9 49
//